Information card for entry 4128155

Structure parameters

• Formula: C26.5 H37.5 Cl N3 O2
• Calculated formula: C26.5 H37.5 Cl N3 O2
• Title of publication: Anomalous Chromophore Disruption Enables an Eight-Step Synthesis and Stereochemical Reassignment of (+)-Marineosin A.
• Authors of publication: Feng, Zhengao; Allred, Tyler K.; Hurlow, Evan E.; Harran, Patrick G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 6
• Pages of publication: 2274 - 2278
• a: 33.1593 ± 0.0015 Å
• b: 8.7821 ± 0.0004 Å
• c: 23.3882 ± 0.001 Å
• α: 90°
• β: 129.718 ± 0.002°
• γ: 90°
• Cell volume: 5238.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No